Geometry & MOs

Info

ID:	193235
PubChem CID:	78360748
Reduced:	FNO5C32H38 (1)
Stoich.:	ABC5D32E38 (1)
Weight, g/mol:	501.07218
ΔH_f, kcal/mol:	-212.03
Dipole, Da:	1.44
IP(EA), eV:	-8.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCC4=CC=CC=C4)OC5CCC(CC5C3=O)F)OCC

DOS

IR

Vibrations